(2S)-N-(2-Oxoethyl)-1-[(2R)-3-Phenyl-2-[[2-[[(2S)-Pyrrolidin-2-Yl]Methylamino]Acetyl]Amino]Propanoyl]-2,5-Dihydropyrrole-2-Carboxamide
[CAS# 148138-57-2]

Identification

• Name: (2S)-N-(2-Oxoethyl)-1-[(2R)-3-Phenyl-2-[[2-[[(2S)-Pyrrolidin-2-Yl]Methylamino]Acetyl]Amino]Propanoyl]-2,5-Dihydropyrrole-2-Carboxamide
• Synonyms: (2S)-N-(2-Oxoethyl)-1-[(2R)-1-Oxo-2-[[1-Oxo-2-[[(2S)-2-Pyrrolidinyl]Methylamino]Ethyl]Amino]-3-Phenylpropyl]-2,5-Dihydropyrrole-2-Carboxamide; (2S)-N-(2-Ketoethyl)-1-[(2R)-3-Phenyl-2-[[2-[[(2S)-Pyrrolidin-2-Yl]Methylamino]Acetyl]Amino]Propanoyl]-3-Pyrroline-2-Carboxamide; (2S)-N-(2-Oxoethyl)-1-[(2R)-3-Phenyl-2-[2-[[(2S)-Pyrrolidin-2-Yl]Methylamino]Ethanoylamino]Propanoyl]-2,5-Dihydropyrrole-2-Carboxamide
• Molecular Formula: C₂₃H₃₁N₅O₄
• Molecular Weight: 441.53
• CAS Registry Number: 148138-57-2
• SMILES: [C@H]1(C(NCC=O)=O)N(CC=C1)C([C@H](NC(CNC[C@H]2NCCC2)=O)CC3=CC=CC=C3)=O
• InChI: 1S/C23H31N5O4/c29-13-11-26-22(31)20-9-5-12-28(20)23(32)19(14-17-6-2-1-3-7-17)27-21(30)16-24-15-18-8-4-10-25-18/h1-3,5-7,9,13,18-20,24-25H,4,8,10-12,14-16H2,(H,26,31)(H,27,30)/t18-,19+,20-/m0/s1
• InChIKey: IIOAXHWOQBDPIK-ZCNNSNEGSA-N

Properties

• Density: 1.224g/cm³ (Cal.)
• Boiling point: 776.563°C at 760 mmHg (Cal.)
• Flash point: 423.45°C (Cal.)